2-Chloro-2-butene

CAT: 0127-OR1077667Size: 5 mLDry Ice: NoHazardous: No

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CAT#:0127-OR1077667Size:5 mL

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CAS Number

4461-41-0

Synonyms

1-Methyl-1-propenyl Chloride

MDL Number

MFCD00000860

Purity

>96.0%

Smiles

CC=C (C) Cl

Chemical Information

2-Butene, 2-chloro-

CAS Number	4461-41-0
PubChem CID	5463022
IUPAC Name	(Z)-2-chlorobut-2-ene
Molecular Formula	C4H7Cl
Molecular Weight	90.55
XLogP	2.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	45

SMILES

C/C=C(/C)\Cl

InChI

InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3/b4-3-

InChIKey

DSDHFHLZEFQSFM-ARJAWSKDSA-N

Chemical Structure

2D Structure

CAS: 4461-41-0

CID: 5463022

Formula: C4H7Cl

MW: 90.55

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	90.55
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	90.0236279
Monoisotopic Mass	90.0236279
Topological Polar Surface Area	0 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	45.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes